Index  Name                  MoleF   MolalityCropped  Charge
 0     H2O(L)            8.1992706e-01  5.5508435e+01   0.0 
 1     Cl-               9.0036447e-02  6.0953986e+00  -1.0 
 2     H+                3.1947185e-11  2.1628000e-09   1.0 
 3     Na+               9.0036468e-02  6.0954000e+00   1.0 
 4     OH-               2.0645728e-08  1.3977000e-06  -1.0 

 Species          Species            beta0MX  beta1MX   beta2MX   CphiMX    alphaMX thetaij    
 Cl-              H+                 0.17750   0.29450   0.00000   0.00080   2.00000   0.00000 
 Cl-              Na+                0.07650   0.26640   0.00000   0.00127   2.00000   0.00000 
 Cl-              OH-                0.00000   0.00000   0.00000   0.00000   0.00000  -0.05000 
 H+               Na+                0.00000   0.00000   0.00000   0.00000   0.00000   0.03600 
 H+               OH-                0.00000   0.00000   0.00000   0.00000   0.00000   0.00000 
 Na+              OH-                0.08640   0.25300   0.00000   0.00440   2.00000   0.00000 

 Species          Species          Species       psi   
 Cl-              H+               Na+               -0.00400 
 Cl-              Na+              H+                -0.00400 
 Cl-              Na+              OH-               -0.00600 
 Cl-              OH-              Na+               -0.00600 
 H+               Cl-              Na+               -0.00400 
 H+               Na+              Cl-               -0.00400 
 Na+              Cl-              H+                -0.00400 
 Na+              Cl-              OH-               -0.00600 
 Na+              H+               Cl-               -0.00400 
 Na+              OH-              Cl-               -0.00600 
 OH-              Cl-              Na+               -0.00600 
 OH-              Na+              Cl-               -0.00600 
a1 = 3.04284e-10
a2 = 3.04284e-10

 Debugging information from hmw_act 
 Step 1: 
 ionic strenth      =  6.0997000e+00 
 total molar charge =  1.2199400e+01 
 Is = 6.0997
 ij = 1, elambda = 0.0454012, elambda1 = -0.00306854
 ij = 2, elambda = 0.200776, elambda1 = -0.014532
 ij = 3, elambda = 0.47109, elambda1 = -0.0351127
 ij = 4, elambda = 0.857674, elambda1 = -0.0650149
 ij = 4, elambda = 0.857674, elambda1 = -0.0650149
 ij = 6, elambda = 1.98206, elambda1 = -0.153152
 ij = 8, elambda = 3.57685, elambda1 = -0.279391
 ij = 9, elambda = 4.55112, elambda1 = -0.356872
 ij = 12, elambda = 8.18289, elambda1 = -0.646977
 ij = 16, elambda = 14.6822, elambda1 = -1.16875
 Step 2: 
 z1=  1 z2=  1 E-theta(I) = 0.000000, E-thetaprime(I) = 0.000000
 z1=  1 z2=  2 E-theta(I) = -0.059044, E-thetaprime(I) = 0.004790
 z1=  1 z2=  3 E-theta(I) = -0.355533, E-thetaprime(I) = 0.028969
 z1=  1 z2=  4 E-theta(I) = -1.068400, E-thetaprime(I) = 0.087216
 z1=  2 z2=  1 E-theta(I) = -0.059044, E-thetaprime(I) = 0.004790
 z1=  2 z2=  2 E-theta(I) = 0.000000, E-thetaprime(I) = 0.000000
 z1=  2 z2=  3 E-theta(I) = -0.178237, E-thetaprime(I) = 0.014566
 z1=  2 z2=  4 E-theta(I) = -0.951372, E-thetaprime(I) = 0.077813
 z1=  3 z2=  1 E-theta(I) = -0.355533, E-thetaprime(I) = 0.028969
 z1=  3 z2=  2 E-theta(I) = -0.178237, E-thetaprime(I) = 0.014566
 z1=  3 z2=  3 E-theta(I) = 0.000000, E-thetaprime(I) = 0.000000
 z1=  3 z2=  4 E-theta(I) = -0.357010, E-thetaprime(I) = 0.029220
 z1=  4 z2=  1 E-theta(I) = -1.068400, E-thetaprime(I) = 0.087216
 z1=  4 z2=  2 E-theta(I) = -0.951372, E-thetaprime(I) = 0.077813
 z1=  4 z2=  3 E-theta(I) = -0.357010, E-thetaprime(I) = 0.029220
 z1=  4 z2=  4 E-theta(I) = 0.000000, E-thetaprime(I) = 0.000000
 Step 3: 
 Species          Species            g(x)  hfunc(x)   
 Cl-              H+                 0.07849  -0.07133 
 Cl-              Na+                0.07849  -0.07133 
 Cl-              OH-                0.00000   0.00000 
 H+               Na+                0.00000   0.00000 
 H+               OH-                0.00000   0.00000 
 Na+              OH-                0.07849  -0.07133 
 Step 4: 
 Species          Species            BMX    BprimeMX    BphiMX   
1 0.200614: 0.1775 0.2945 0 0.0784862
 Cl-              H+                 0.2006142  -0.0034438   0.1796081 
2 0.0974087: 0.0765 0.2664 0 0.0784862
 Cl-              Na+                0.0974087  -0.0031152   0.0784069 
 Cl-              OH-                0.0000000   0.0000000   0.0000000 
 H+               Na+                0.0000000   0.0000000   0.0000000 
5 0: 0 0 0 0
 H+               OH-                0.0000000   0.0000000   0.0000000 
6 0.106257: 0.0864 0.253 0 0.0784862
 Na+              OH-                0.1062570  -0.0029585   0.0882110 
 Step 5: 
 Species          Species            CMX 
 Cl-              H+                 0.0004000 
 Cl-              Na+                0.0006350 
 Cl-              OH-                0.0000000 
 H+               Na+                0.0000000 
 H+               OH-                0.0000000 
 Na+              OH-                0.0022000 
 Step 6: 
 Species          Species            Phi_ij  Phiprime_ij  Phi^phi_ij 
 Cl-              H+                 0.000000   0.000000   0.000000 
 Cl-              Na+                0.000000   0.000000   0.000000 
 Cl-              OH-               -0.050000   0.000000  -0.050000 
 H+               Na+                0.036000   0.000000   0.036000 
 H+               OH-                0.000000   0.000000   0.000000 
 Na+              OH-                0.000000   0.000000   0.000000 
 Step 7: 
 initial value of F =  -1.143942 
 F =  -1.143942 
 F =  -1.259847 
 F =  -1.259847 
 F =  -1.259847 
 F =  -1.259847 
 F =  -1.259847 
 Step 8: 
 Cl-              lngamma[i]= -0.000641 gamma[i]=  0.999359
                       -1.25985      1.23558 -1.90923e-07 -5.27697e-11     0.023626            0
 H+               lngamma[i]=  1.531269 gamma[i]=  4.624042 
                       -1.25985      2.47714     0.290353            0     0.023626            0
 Na+              lngamma[i]= -0.000641 gamma[i]=  0.999359 
                       -1.25985      1.23558  1.02952e-10 -5.11533e-08     0.023626            0
 OH-              lngamma[i]= -0.609449 gamma[i]=  0.543650
                       -1.25985      1.45998    -0.833208            0     0.023626            0
 Step 9: 
 term1= -1.489777 sum1=  3.205458 sum2=  0.000000 sum3= -0.000001 sum4=  0.000000 sum5=  0.000000
     sum_m_phi_minus_1=  3.431360        osmotic_coef=  1.281273
 Step 10: 
 Weight of Solvent =         18.01528
 molalitySum =          12.1994
 ln_a_water= -0.281593 a_water=  0.754581


 Debugging information from hmw_act 
 Step 1: 
 ionic strenth      =  6.0997000e+00 
 total molar charge =  1.2199400e+01 
 Is = 6.0997
 ij = 1, elambda = 0.0454012, elambda1 = -0.00306854
 ij = 2, elambda = 0.200776, elambda1 = -0.014532
 ij = 3, elambda = 0.47109, elambda1 = -0.0351127
 ij = 4, elambda = 0.857674, elambda1 = -0.0650149
 ij = 4, elambda = 0.857674, elambda1 = -0.0650149
 ij = 6, elambda = 1.98206, elambda1 = -0.153152
 ij = 8, elambda = 3.57685, elambda1 = -0.279391
 ij = 9, elambda = 4.55112, elambda1 = -0.356872
 ij = 12, elambda = 8.18289, elambda1 = -0.646977
 ij = 16, elambda = 14.6822, elambda1 = -1.16875
 Step 2: 
 z1=  1 z2=  1 E-theta(I) = 0.000000, E-thetaprime(I) = 0.000000
 z1=  1 z2=  2 E-theta(I) = -0.059044, E-thetaprime(I) = 0.004790
 z1=  1 z2=  3 E-theta(I) = -0.355533, E-thetaprime(I) = 0.028969
 z1=  1 z2=  4 E-theta(I) = -1.068400, E-thetaprime(I) = 0.087216
 z1=  2 z2=  1 E-theta(I) = -0.059044, E-thetaprime(I) = 0.004790
 z1=  2 z2=  2 E-theta(I) = 0.000000, E-thetaprime(I) = 0.000000
 z1=  2 z2=  3 E-theta(I) = -0.178237, E-thetaprime(I) = 0.014566
 z1=  2 z2=  4 E-theta(I) = -0.951372, E-thetaprime(I) = 0.077813
 z1=  3 z2=  1 E-theta(I) = -0.355533, E-thetaprime(I) = 0.028969
 z1=  3 z2=  2 E-theta(I) = -0.178237, E-thetaprime(I) = 0.014566
 z1=  3 z2=  3 E-theta(I) = 0.000000, E-thetaprime(I) = 0.000000
 z1=  3 z2=  4 E-theta(I) = -0.357010, E-thetaprime(I) = 0.029220
 z1=  4 z2=  1 E-theta(I) = -1.068400, E-thetaprime(I) = 0.087216
 z1=  4 z2=  2 E-theta(I) = -0.951372, E-thetaprime(I) = 0.077813
 z1=  4 z2=  3 E-theta(I) = -0.357010, E-thetaprime(I) = 0.029220
 z1=  4 z2=  4 E-theta(I) = 0.000000, E-thetaprime(I) = 0.000000
 Step 3: 
 Species          Species            g(x)  hfunc(x)   
 Cl-              H+                 0.07849  -0.07133 
 Cl-              Na+                0.07849  -0.07133 
 Cl-              OH-                0.00000   0.00000 
 H+               Na+                0.00000   0.00000 
 H+               OH-                0.00000   0.00000 
 Na+              OH-                0.07849  -0.07133 
 Step 4: 
 Species          Species            BMX    BprimeMX    BphiMX   
1 0.200614: 0.1775 0.2945 0 0.0784862
 Cl-              H+                 0.2006142  -0.0034438   0.1796081 
2 0.0974087: 0.0765 0.2664 0 0.0784862
 Cl-              Na+                0.0974087  -0.0031152   0.0784069 
 Cl-              OH-                0.0000000   0.0000000   0.0000000 
 H+               Na+                0.0000000   0.0000000   0.0000000 
5 0: 0 0 0 0
 H+               OH-                0.0000000   0.0000000   0.0000000 
6 0.106257: 0.0864 0.253 0 0.0784862
 Na+              OH-                0.1062570  -0.0029585   0.0882110 
 Step 5: 
 Species          Species            CMX 
 Cl-              H+                 0.0004000 
 Cl-              Na+                0.0006350 
 Cl-              OH-                0.0000000 
 H+               Na+                0.0000000 
 H+               OH-                0.0000000 
 Na+              OH-                0.0022000 
 Step 6: 
 Species          Species            Phi_ij  Phiprime_ij  Phi^phi_ij 
 Cl-              H+                 0.000000   0.000000   0.000000 
 Cl-              Na+                0.000000   0.000000   0.000000 
 Cl-              OH-               -0.050000   0.000000  -0.050000 
 H+               Na+                0.036000   0.000000   0.036000 
 H+               OH-                0.000000   0.000000   0.000000 
 Na+              OH-                0.000000   0.000000   0.000000 
 Step 7: 
 initial value of F =  -1.143942 
 F =  -1.143942 
 F =  -1.259847 
 F =  -1.259847 
 F =  -1.259847 
 F =  -1.259847 
 F =  -1.259847 
 Step 8: 
 Cl-              lngamma[i]= -0.000641 gamma[i]=  0.999359
                       -1.25985      1.23558 -1.90923e-07 -5.27697e-11     0.023626            0
 H+               lngamma[i]=  1.531269 gamma[i]=  4.624042 
                       -1.25985      2.47714     0.290353            0     0.023626            0
 Na+              lngamma[i]= -0.000641 gamma[i]=  0.999359 
                       -1.25985      1.23558  1.02952e-10 -5.11533e-08     0.023626            0
 OH-              lngamma[i]= -0.609449 gamma[i]=  0.543650
                       -1.25985      1.45998    -0.833208            0     0.023626            0
 Step 9: 
 term1= -1.489777 sum1=  3.205458 sum2=  0.000000 sum3= -0.000001 sum4=  0.000000 sum5=  0.000000
     sum_m_phi_minus_1=  3.431360        osmotic_coef=  1.281273
 Step 10: 
 Weight of Solvent =         18.01528
 molalitySum =          12.1994
 ln_a_water= -0.281593 a_water=  0.754581

            Name      Activity  ActCoeffMolal    MoleFract      Molality
          H2O(L)      0.754581       0.92042      0.819823       55.5084
             Cl-       6.09579      0.999359     0.0900885        6.0997
              H+   1.00009e-08       4.62404   3.19431e-11    2.1628e-09
             Na+       6.09579      0.999359     0.0900885        6.0997
             OH-    7.5986e-07       0.54365   2.06431e-08    1.3977e-06
           Species   Standard chemical potentials (kJ/gmol) 
------------------------------------------------------------
          H2O(L)      -306.685777
             Cl-      -131.064852
              H+        0.0017225
             Na+      -311.160543
             OH-      -226.880122
------------------------------------------------------------
 Some DeltaSS values:               Delta(mu_0)
 NaCl(S): Na+ + Cl- -> NaCl(S):       9.594995 kJ/gmol 
                                :       3.870573 (dimensionless) 
                                :       1.680969 (dimensionless/ln10) 
            G0(NaCl(S)) =      -432.6304 (fixed)
            G0(Na+)     =      -311.1605
            G0(Cl-)     =      -131.0649
 OH-: H2O(L) - H+ -> OH-:       79.80738 kJ/gmol 
                                :        32.1939 (dimensionless) 
                                :       13.98163 (dimensionless/ln10) 
            G0(OH-)    =      -226.8801
            G0(H+)     =      0.0017225
            G0(H2O(L)) =      -306.6858
------------------------------------------------------------
